DHE
  CCTOOLS-0807261402

 81 88  0  0  1  0  0  0  0  0999 V2000
   -0.7400   15.6650   82.5890 FE  0  0  0  0  0
   -3.1240   13.5780   81.2930 C   0  0  0  0  0
    0.5740   16.0830   79.4440 C   0  0  0  0  0
    1.6590   17.8030   83.8770 C   0  0  0  0  0
   -2.0160   15.2130   85.7290 C   0  0  0  0  0
   -1.2110   14.9390   80.6520 N   0  5  0  0  0
   -2.2210   14.0870   80.3430 C   0  0  0  0  0
   -2.1930   13.8270   78.9850 C   0  0  0  0  0
   -1.1470   14.5320   78.4590 C   0  0  0  0  0
   -0.5500   15.2130   79.4910 C   0  0  0  0  0
   -0.7380   14.5400   77.0070 C   0  0  0  0  0
   -3.1330   12.9220   78.2300 C   0  0  0  0  0
   -2.7020   11.4580   78.2140 C   0  0  0  0  0
   -3.6710   10.5180   77.5040 C   0  0  0  0  0
   -3.4350   10.2240   76.3130 O   0  0  0  0  0
   -4.6520   10.0900   78.1490 O   0  5  0  0  0
    0.8630   16.7910   81.7940 N   0  0  0  0  0
    1.1910   16.7880   80.4640 C   0  0  0  0  0
    2.3150   17.6470   80.2110 C   0  0  0  0  0
    2.8620   17.8520   79.1420 O   0  0  0  0  0
    2.7160   18.2810   81.5350 C   0  0  0  0  0
    2.4860   19.8050   81.4470 C   0  0  0  0  0
    4.2030   17.9650   81.8600 C   0  0  0  0  0
    4.5490   16.4920   82.0100 C   0  0  0  0  0
    4.9260   15.8880   80.9830 O   0  0  0  0  0
    4.4360   15.9950   83.1500 O   0  5  0  0  0
    1.7030   17.5940   82.4430 C   0  0  0  0  0
   -0.2770   16.3670   84.5070 N   0  0  0  0  0
    0.7740   17.2370   84.7960 C   0  0  0  0  0
    0.8730   17.4920   86.1970 C   0  0  0  0  0
    1.6970   18.1850   86.7670 O   0  0  0  0  0
   -0.2600   16.7280   86.8660 C   0  0  0  0  0
   -1.1990   17.7540   87.5400 C   0  0  0  0  0
    0.3150   15.7360   87.9160 C   0  0  0  0  0
    1.2340   14.6540   87.3700 C   0  0  0  0  0
    0.6980   13.5880   87.0000 O   0  0  0  0  0
    2.4570   14.9070   87.3370 O   0  5  0  0  0
   -0.8940   16.0650   85.6450 C   0  0  0  0  0
   -2.3350   14.5500   83.3820 N   0  5  0  0  0
   -2.7200   14.5030   84.6860 C   0  0  0  0  0
   -3.8360   13.7120   84.8030 C   0  0  0  0  0
   -4.1380   13.2470   83.5540 C   0  0  0  0  0
   -3.2040   13.7760   82.6820 C   0  0  0  0  0
   -4.5890   13.3900   86.0680 C   0  0  0  0  0
   -5.2860   12.3390   83.1900 C   0  0  0  0  0
   -6.5500   13.0800   82.7630 C   0  0  0  0  0
   -7.6560   12.1840   82.2150 C   0  0  0  0  0
   -8.5710   11.8390   82.9930 O   0  0  0  0  0
   -7.5920   11.8400   81.0160 O   0  5  0  0  0
   -3.7890   13.0080   80.9380 H   0  0  0  0  0
    0.9810   16.2090   78.5960 H   0  0  0  0  0
    2.3010   18.3960   84.2270 H   0  0  0  0  0
   -2.3610   15.0750   86.5960 H   0  0  0  0  0
   -0.1520   15.2910   76.8270 H   0  0  0  0  0
   -1.5240   14.6210   76.4430 H   0  0  0  0  0
   -0.2740   13.7130   76.7960 H   0  0  0  0  0
   -3.2270   13.2320   77.3040 H   0  0  0  0  0
   -4.0300   12.9790   78.6270 H   0  0  0  0  0
   -2.5920   11.1500   79.1440 H   0  0  0  0  0
   -1.8230   11.3920   77.7750 H   0  0  0  0  0
   -6.0100   10.3320   78.1570 H   0  0  0  0  0
    3.0430   20.1820   80.7460 H   0  0  0  0  0
    2.7100   20.2200   82.2970 H   0  0  0  0  0
    1.5520   19.9790   81.2430 H   0  0  0  0  0
    4.4390   18.4220   82.6910 H   0  0  0  0  0
    4.7590   18.3420   81.1510 H   0  0  0  0  0
    4.1460   13.9080   84.3880 H   0  0  0  0  0
   -0.7080   18.2590   88.2090 H   0  0  0  0  0
   -1.9410   17.2900   87.9650 H   0  0  0  0  0
   -1.5450   18.3640   86.8690 H   0  0  0  0  0
   -0.4320   15.3030   88.3710 H   0  0  0  0  0
    0.8080   16.2490   88.5850 H   0  0  0  0  0
    1.7050   14.4100   87.8550 H   0  0  0  0  0
   -5.5400   13.3310   85.8840 H   0  0  0  0  0
   -4.4460   14.0860   86.7280 H   0  0  0  0  0
   -4.2780   12.5420   86.4250 H   0  0  0  0  0
   -5.5040   11.7560   83.9490 H   0  0  0  0  0
   -5.0110   11.7420   82.4590 H   0  0  0  0  0
   -6.3110   13.7410   82.0730 H   0  0  0  0  0
   -6.9030   13.5760   83.5380 H   0  0  0  0  0
   -8.1780   11.1530   80.9160 H   0  0  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 28  1  0  0  0
  1 39  1  0  0  0
  2  7  2  0  0  0
  2 43  1  0  0  0
  2 50  1  0  0  0
  3 10  2  0  0  0
  3 18  1  0  0  0
  3 51  1  0  0  0
  4 27  2  0  0  0
  4 29  1  0  0  0
  4 52  1  0  0  0
  5 38  2  0  0  0
  5 40  1  0  0  0
  5 53  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 54  1  0  0  0
 11 55  1  0  0  0
 11 56  1  0  0  0
 12 13  1  0  0  0
 12 57  1  0  0  0
 12 58  1  0  0  0
 13 14  1  0  0  0
 13 59  1  0  0  0
 13 60  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 61  1  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 21 22  1  0  0  0
 21 23  1  0  0  0
 21 27  1  0  0  0
 22 62  1  0  0  0
 22 63  1  0  0  0
 22 64  1  0  0  0
 23 24  1  0  0  0
 23 65  1  0  0  0
 23 66  1  0  0  0
 24 25  2  0  0  0
 24 26  1  0  0  0
 26 67  1  0  0  0
 28 29  2  0  0  0
 28 38  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 32 33  1  0  0  0
 32 34  1  0  0  0
 32 38  1  0  0  0
 33 68  1  0  0  0
 33 69  1  0  0  0
 33 70  1  0  0  0
 34 35  1  0  0  0
 34 71  1  0  0  0
 34 72  1  0  0  0
 35 36  2  0  0  0
 35 37  1  0  0  0
 37 73  1  0  0  0
 39 40  1  0  0  0
 39 43  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 41 44  1  0  0  0
 42 43  2  0  0  0
 42 45  1  0  0  0
 44 74  1  0  0  0
 44 75  1  0  0  0
 44 76  1  0  0  0
 45 46  1  0  0  0
 45 77  1  0  0  0
 45 78  1  0  0  0
 46 47  1  0  0  0
 46 79  1  0  0  0
 46 80  1  0  0  0
 47 48  2  0  0  0
 47 49  1  0  0  0
 49 81  1  0  0  0
M  CHG  1   6  -1
M  CHG  1  16  -1
M  CHG  1  26  -1
M  CHG  1  37  -1
M  CHG  1  39  -1
M  CHG  1  49  -1
M  END
$$$$
